CID 62490322

(5-cyclopropyl-2-fluorophenyl)methanamine

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

C1CC1C2=CC(=C(C=C2)F)CN

InChI

InChI=1S/C10H12FN/c11-10-4-3-8(7-1-2-7)5-9(10)6-12/h3-5,7H,1-2,6,12H2

InChIKey

LIPMVQGETXGBLZ-UHFFFAOYSA-N

Compound name

(5-cyclopropyl-2-fluorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 165.09538 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.10266	135.4
[M+Na]+	188.08460	148.5
[M+NH4]+	183.12920	144.8
[M+K]+	204.05854	143.2
[M-H]-	164.08810	145.3
[M+Na-2H]-	186.07005	145.3
[M]+	165.09483	141.1
[M]-	165.09593	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe